|
Analogs
-
3918087
-
-
3938704
-
-
3995925
-
-
3995927
-
-
3995929
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MMP2-2-E |
72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
1900 |
0.21 |
Binding ≤ 10μM
|
Z50460-3-O |
Leishmania Major (cluster #3 Of 4), Other |
Other |
380 |
0.24 |
Functional ≤ 10μM
|
Z80014-1-O |
A204 (Rhabdomyosarcoma Cells) (cluster #1 Of 1), Other |
Other |
3000 |
0.20 |
Functional ≤ 10μM |
Z80021-3-O |
A498 (Renal Carcinoma Cells) (cluster #3 Of 5), Other |
Other |
3000 |
0.20 |
Functional ≤ 10μM |
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
63 |
0.27 |
Functional ≤ 10μM
|
Z80035-1-O |
B16 (Melanoma Cells) (cluster #1 Of 7), Other |
Other |
9 |
0.30 |
Functional ≤ 10μM |
Z80060-1-O |
CAPAN-1 (Pancreatic Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
390 |
0.24 |
Functional ≤ 10μM |
Z80088-1-O |
CHO (Ovarian Cells) (cluster #1 Of 4), Other |
Other |
390 |
0.24 |
Functional ≤ 10μM |
Z80134-1-O |
EVSA-T (cluster #1 Of 1), Other |
Other |
2000 |
0.21 |
Functional ≤ 10μM |
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
5 |
0.31 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
400 |
0.24 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
15 |
0.29 |
Functional ≤ 10μM
|
Z80188-1-O |
KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
7 |
0.30 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
60 |
0.27 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
2000 |
0.21 |
Functional ≤ 10μM
|
Z80240-1-O |
MDA-MB-361 (cluster #1 Of 1), Other |
Other |
36 |
0.27 |
Functional ≤ 10μM
|
Z80254-1-O |
MES-SA (Uterine Sarcoma Cells) (cluster #1 Of 2), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM
|
Z80255-2-O |
MES-SA/DxS (Uterine Sarcoma Cells) (cluster #2 Of 2), Other |
Other |
2000 |
0.21 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
1 |
0.33 |
Functional ≤ 10μM |
Z80335-2-O |
NHDF (cluster #2 Of 2), Other |
Other |
404 |
0.24 |
Functional ≤ 10μM |
Z80342-1-O |
NSCLC (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
4 |
0.31 |
Functional ≤ 10μM |
Z80354-4-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #4 Of 4), Other |
Other |
390 |
0.24 |
Functional ≤ 10μM |
Z80362-1-O |
P388 (Lymphoma Cells) (cluster #1 Of 8), Other |
Other |
3 |
0.31 |
Functional ≤ 10μM
|
Z80364-1-O |
P388/ADR (Lymphoma Cells) (cluster #1 Of 1), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other |
Other |
440 |
0.23 |
Functional ≤ 10μM
|
Z80466-1-O |
SF268 (cluster #1 Of 4), Other |
Other |
600 |
0.23 |
Functional ≤ 10μM |
Z80485-1-O |
SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other |
Other |
1600 |
0.21 |
Functional ≤ 10μM |
Z80532-1-O |
T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
2000 |
0.21 |
Functional ≤ 10μM |
Z80571-1-O |
UCLA P-3 (cluster #1 Of 1), Other |
Other |
730 |
0.23 |
Functional ≤ 10μM |
Z80585-1-O |
WALKER (cluster #1 Of 1), Other |
Other |
47 |
0.27 |
Functional ≤ 10μM |
Z80606-1-O |
YOSHIDA (Sarcoma Cells) (cluster #1 Of 1), Other |
Other |
7 |
0.30 |
Functional ≤ 10μM |
Z80896-1-O |
NCI-H69 (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
100 |
0.26 |
Functional ≤ 10μM
|
Z80957-1-O |
HMEC (Microvascular Endothelial Cells) (cluster #1 Of 2), Other |
Other |
98 |
0.26 |
Functional ≤ 10μM |
Z81017-1-O |
WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
7000 |
0.19 |
Functional ≤ 10μM |
Z81020-3-O |
HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other |
Other |
700 |
0.23 |
Functional ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
380 |
0.24 |
Functional ≤ 10μM |
Z81072-1-O |
Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other |
Other |
83 |
0.26 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
640 |
0.23 |
Functional ≤ 10μM
|
Z81133-1-O |
L1210 (1565) (cluster #1 Of 1), Other |
Other |
16 |
0.29 |
Functional ≤ 10μM |
Z81159-1-O |
Lewis Cell Line (cluster #1 Of 1), Other |
Other |
61 |
0.27 |
Functional ≤ 10μM |
Z81227-1-O |
M-19 Cell Line (cluster #1 Of 1), Other |
Other |
2000 |
0.21 |
Functional ≤ 10μM |
Z81245-1-O |
MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
977 |
0.22 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
2960 |
0.20 |
Functional ≤ 10μM
|
Z81252-3-O |
MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other |
Other |
250 |
0.24 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
8600 |
0.19 |
Functional ≤ 10μM
|
Z80291-1-O |
MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other |
Other |
880 |
0.22 |
ADME/T ≤ 10μM |
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 3), Other |
Other |
2500 |
0.21 |
ADME/T ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.90 |
1.34 |
-54.26 |
7 |
11 |
1 |
187 |
528.534 |
4 |
↓
|
|
|
Analogs
-
3917708
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AURKA-1-E |
Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
40 |
0.27 |
Binding ≤ 10μM |
MMP2-2-E |
72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
1100 |
0.21 |
Binding ≤ 10μM
|
TOP2A-1-E |
DNA Topoisomerase II Alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1000 |
0.22 |
Binding ≤ 10μM
|
TOP1-1-E |
DNA Topoisomerase I (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
TOP2A-1-E |
DNA Topoisomerase II Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
TOP2B-1-E |
DNA Topoisomerase II Beta (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
Z50643-2-O |
Hepatitis C Virus (cluster #2 Of 2), Other |
Other |
2600 |
0.20 |
Binding ≤ 10μM
|
Z103196-1-O |
22RV1 (cluster #1 Of 2), Other |
Other |
1300 |
0.21 |
Functional ≤ 10μM |
Z103203-1-O |
A375 (cluster #1 Of 3), Other |
Other |
130 |
0.25 |
Functional ≤ 10μM
|
Z103205-1-O |
A431 (cluster #1 Of 4), Other |
Other |
370 |
0.23 |
Functional ≤ 10μM
|
Z103219-1-O |
Ca9-22 (cluster #1 Of 1), Other |
Other |
1300 |
0.21 |
Functional ≤ 10μM
|
Z50347-3-O |
Saccharomyces Cerevisiae (cluster #3 Of 3), Other |
Other |
10000 |
0.18 |
Functional ≤ 10μM
|
Z50587-4-O |
Homo Sapiens (cluster #4 Of 9), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z50643-2-O |
Hepatitis C Virus (cluster #2 Of 5), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z80008-1-O |
5637 (Epithelial Bladder Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80017-1-O |
A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
6 |
0.30 |
Functional ≤ 10μM
|
Z80018-2-O |
A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM |
Z80021-3-O |
A498 (Renal Carcinoma Cells) (cluster #3 Of 5), Other |
Other |
53 |
0.26 |
Functional ≤ 10μM
|
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
700 |
0.22 |
Functional ≤ 10μM |
Z80026-1-O |
AGS (Gastric Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
310 |
0.23 |
Functional ≤ 10μM
|
Z80035-1-O |
B16 (Melanoma Cells) (cluster #1 Of 7), Other |
Other |
8 |
0.29 |
Functional ≤ 10μM
|
Z80039-1-O |
BGC-823 (Stomach Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
1000 |
0.22 |
Functional ≤ 10μM
|
Z80052-1-O |
C8166 (Leukemic T-cells) (cluster #1 Of 3), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
6700 |
0.19 |
Functional ≤ 10μM |
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80068-1-O |
CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #1 Of 5), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80088-1-O |
CHO (Ovarian Cells) (cluster #1 Of 4), Other |
Other |
6000 |
0.19 |
Functional ≤ 10μM
|
Z80092-1-O |
CHO-K1 (Ovarian Cells) (cluster #1 Of 2), Other |
Other |
400 |
0.23 |
Functional ≤ 10μM
|
Z80105-2-O |
COR-L23 (Lung Carcinoma Cells) (cluster #2 Of 2), Other |
Other |
319 |
0.23 |
Functional ≤ 10μM
|
Z80114-1-O |
Daudi (Burkitts Lymphoma Cells) (cluster #1 Of 4), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
2540 |
0.20 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
6240 |
0.19 |
Functional ≤ 10μM |
Z80126-2-O |
DuPro (cluster #2 Of 2), Other |
Other |
1800 |
0.21 |
Functional ≤ 10μM
|
Z80138-1-O |
G-361 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80145-3-O |
H69 (cluster #3 Of 4), Other |
Other |
870 |
0.22 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
920 |
0.22 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
940 |
0.22 |
Functional ≤ 10μM
|
Z80164-1-O |
HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other |
Other |
4700 |
0.19 |
Functional ≤ 10μM
|
Z80164-1-O |
HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other |
Other |
9320 |
0.18 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
92 |
0.25 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
950 |
0.22 |
Functional ≤ 10μM
|
Z80175-1-O |
IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
430 |
0.23 |
Functional ≤ 10μM
|
Z80188-1-O |
KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
21 |
0.28 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
900 |
0.22 |
Functional ≤ 10μM |
Z80211-1-O |
LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
200 |
0.24 |
Functional ≤ 10μM
|
Z80211-1-O |
LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
9700 |
0.18 |
Functional ≤ 10μM
|
Z80214-2-O |
M14 (Melanoma Cells) (cluster #2 Of 3), Other |
Other |
820 |
0.22 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
80 |
0.25 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
920 |
0.22 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
6700 |
0.19 |
Functional ≤ 10μM
|
Z80240-1-O |
MDA-MB-361 (cluster #1 Of 1), Other |
Other |
33 |
0.27 |
Functional ≤ 10μM
|
Z80243-1-O |
MDA-MB-453 (Breast Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
120 |
0.25 |
Functional ≤ 10μM
|
Z80244-4-O |
MDA-MB-468 (Breast Adenocarcinoma) (cluster #4 Of 7), Other |
Other |
7 |
0.29 |
Functional ≤ 10μM
|
Z80254-1-O |
MES-SA (Uterine Sarcoma Cells) (cluster #1 Of 2), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80255-2-O |
MES-SA/DxS (Uterine Sarcoma Cells) (cluster #2 Of 2), Other |
Other |
704 |
0.22 |
Functional ≤ 10μM
|
Z80267-1-O |
MKN-1 (cluster #1 Of 1), Other |
Other |
640 |
0.22 |
Functional ≤ 10μM
|
Z80269-1-O |
MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
3130 |
0.20 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80291-1-O |
MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z80295-6-O |
MT4 (Lymphocytes) (cluster #6 Of 8), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80322-2-O |
NCI-H358 (Lung Carcinama Cells) (cluster #2 Of 2), Other |
Other |
620 |
0.22 |
Functional ≤ 10μM
|
Z80330-1-O |
NCI-N87 (cluster #1 Of 1), Other |
Other |
420 |
0.23 |
Functional ≤ 10μM
|
Z80354-4-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #4 Of 4), Other |
Other |
35 |
0.27 |
Functional ≤ 10μM
|
Z80362-1-O |
P388 (Lymphoma Cells) (cluster #1 Of 8), Other |
Other |
17 |
0.28 |
Functional ≤ 10μM
|
Z80362-1-O |
P388 (Lymphoma Cells) (cluster #1 Of 8), Other |
Other |
830 |
0.22 |
Functional ≤ 10μM |
Z80364-1-O |
P388/ADR (Lymphoma Cells) (cluster #1 Of 1), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80367-1-O |
P388/S (cluster #1 Of 1), Other |
Other |
13 |
0.28 |
Functional ≤ 10μM
|
Z80389-1-O |
PC-14 (cluster #1 Of 1), Other |
Other |
290 |
0.23 |
Functional ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other |
Other |
680 |
0.22 |
Functional ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other |
Other |
912 |
0.22 |
Functional ≤ 10μM
|
Z80414-1-O |
Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80433-1-O |
RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other |
Other |
560 |
0.22 |
Functional ≤ 10μM
|
Z80441-1-O |
RXF 944 (cluster #1 Of 1), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80466-1-O |
SF268 (cluster #1 Of 4), Other |
Other |
600 |
0.22 |
Functional ≤ 10μM |
Z80468-1-O |
SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
35 |
0.27 |
Functional ≤ 10μM
|
Z80472-1-O |
SiHa (Cervical Squamous Cell Carcinoma) (cluster #1 Of 2), Other |
Other |
500 |
0.23 |
Functional ≤ 10μM
|
Z80475-1-O |
SK-BR-3 (Breast Adenocarcinoma) (cluster #1 Of 3), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80477-1-O |
SK_HEP1 (Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z80479-1-O |
SK-MEL (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
1730 |
0.21 |
Functional ≤ 10μM
|
Z80481-1-O |
SK-MEL-1 (Metastatic Melanoma Cells) (cluster #1 Of 1), Other |
Other |
3092 |
0.20 |
Functional ≤ 10μM |
Z80482-3-O |
SK-MEL-2 (Melanoma Cells) (cluster #3 Of 4), Other |
Other |
97 |
0.25 |
Functional ≤ 10μM
|
Z80485-1-O |
SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other |
Other |
600 |
0.22 |
Functional ≤ 10μM |
Z80490-3-O |
SK-MES-1 (cluster #3 Of 4), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80491-2-O |
SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other |
Other |
120 |
0.25 |
Functional ≤ 10μM
|
Z80492-1-O |
SK-N-SH (Neuroblastoma Cells) (cluster #1 Of 2), Other |
Other |
1100 |
0.21 |
Functional ≤ 10μM
|
Z80493-1-O |
SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
800 |
0.22 |
Functional ≤ 10μM
|
Z80495-1-O |
SK-VLB (cluster #1 Of 1), Other |
Other |
6540 |
0.19 |
Functional ≤ 10μM
|
Z80503-1-O |
SNU1 (cluster #1 Of 2), Other |
Other |
4000 |
0.19 |
Functional ≤ 10μM
|
Z80509-1-O |
SNU-638 (Gastric Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
690 |
0.22 |
Functional ≤ 10μM
|
Z80526-1-O |
SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM |
Z80532-1-O |
T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
640 |
0.22 |
Functional ≤ 10μM
|
Z80559-1-O |
U251 (cluster #1 Of 3), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80560-1-O |
U-251 (Glioma Cells) (cluster #1 Of 3), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80563-1-O |
U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80565-1-O |
U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80574-2-O |
UMUC3 (cluster #2 Of 2), Other |
Other |
9 |
0.29 |
Functional ≤ 10μM
|
Z80581-1-O |
VA13 (cluster #1 Of 1), Other |
Other |
400 |
0.23 |
Functional ≤ 10μM
|
Z80581-1-O |
VA13 (cluster #1 Of 1), Other |
Other |
699 |
0.22 |
Functional ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 7), Other |
Other |
5000 |
0.19 |
Functional ≤ 10μM
|
Z80595-1-O |
WIL2-NS (Lymphoblastoid Cells) (cluster #1 Of 2), Other |
Other |
200 |
0.24 |
Functional ≤ 10μM |
Z80600-2-O |
XF498 (Glioma Cells) (cluster #2 Of 2), Other |
Other |
44 |
0.26 |
Functional ≤ 10μM
|
Z80608-1-O |
ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other |
Other |
9 |
0.29 |
Functional ≤ 10μM
|
Z80640-1-O |
786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
3100 |
0.20 |
Functional ≤ 10μM |
Z80661-1-O |
A704 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
2000 |
0.20 |
Functional ≤ 10μM
|
Z80682-1-O |
A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other |
Other |
540 |
0.22 |
Functional ≤ 10μM
|
Z80682-1-O |
A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other |
Other |
970 |
0.22 |
Functional ≤ 10μM
|
Z80697-1-O |
Bel-7402 (Hepatoma Cells) (cluster #1 Of 3), Other |
Other |
1000 |
0.22 |
Functional ≤ 10μM
|
Z80712-2-O |
T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other |
Other |
72 |
0.26 |
Functional ≤ 10μM
|
Z80726-1-O |
TRAMP-C1A (Prostate Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
76 |
0.26 |
Functional ≤ 10μM
|
Z80730-1-O |
C2D Cell Line (cluster #1 Of 1), Other |
Other |
47 |
0.26 |
Functional ≤ 10μM
|
Z80731-1-O |
C2G Cell Line (cluster #1 Of 1), Other |
Other |
29 |
0.27 |
Functional ≤ 10μM
|
Z80732-1-O |
TRAMP-C2H (Prostate Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80735-1-O |
C38 (Colon Carcinoma) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80768-1-O |
CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
6 |
0.30 |
Functional ≤ 10μM
|
Z80784-1-O |
Col2 (Colon Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
520 |
0.23 |
Functional ≤ 10μM
|
Z80801-2-O |
CRL-7065 Cell Line (cluster #2 Of 2), Other |
Other |
500 |
0.23 |
Functional ≤ 10μM
|
Z80819-1-O |
J774.2 (cluster #1 Of 1), Other |
Other |
368 |
0.23 |
Functional ≤ 10μM |
Z80846-1-O |
F460pv8/eto Cell Line (cluster #1 Of 2), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80852-1-O |
A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80887-1-O |
H2981 Cell Line (cluster #1 Of 1), Other |
Other |
700 |
0.22 |
Functional ≤ 10μM
|
Z80889-1-O |
NCI-H322M (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80896-1-O |
NCI-H69 (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
27 |
0.27 |
Functional ≤ 10μM
|
Z80928-1-O |
HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80928-1-O |
HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other |
Other |
6810 |
0.19 |
Functional ≤ 10μM
|
Z80936-1-O |
HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other |
Other |
900 |
0.22 |
Functional ≤ 10μM |
Z80943-1-O |
HEL 299 (cluster #1 Of 1), Other |
Other |
1700 |
0.21 |
Functional ≤ 10μM |
Z80945-1-O |
HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other |
Other |
59 |
0.26 |
Functional ≤ 10μM
|
Z81005-1-O |
HTB-54 Cell Line (cluster #1 Of 1), Other |
Other |
1100 |
0.21 |
Functional ≤ 10μM
|
Z81006-1-O |
Human Breast 401NL Tumor Cell Line (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z81017-1-O |
WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
620 |
0.22 |
Functional ≤ 10μM
|
Z81020-3-O |
HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other |
Other |
954 |
0.22 |
Functional ≤ 10μM
|
Z81020-3-O |
HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other |
Other |
1290 |
0.21 |
Functional ≤ 10μM |
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
660 |
0.22 |
Functional ≤ 10μM
|
Z81025-1-O |
Human Lung LXF 529L Tumor Cell Line (cluster #1 Of 1), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z81026-1-O |
Human Lung LXF 629L Tumor Cell Line (cluster #1 Of 1), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM
|
Z81028-1-O |
Human Melanoma Cell Line (cluster #1 Of 1), Other |
Other |
280 |
0.24 |
Functional ≤ 10μM
|
Z81034-2-O |
A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z81043-1-O |
N592 (cluster #1 Of 2), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81054-1-O |
SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81072-1-O |
Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z81101-1-O |
KBM-3 Cell Line (cluster #1 Of 1), Other |
Other |
26 |
0.27 |
Functional ≤ 10μM
|
Z81102-1-O |
KBM-3/DOX Cell Line (cluster #1 Of 1), Other |
Other |
490 |
0.23 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
600 |
0.22 |
Functional ≤ 10μM |
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
7010 |
0.19 |
Functional ≤ 10μM
|
Z81133-1-O |
L1210 (1565) (cluster #1 Of 1), Other |
Other |
315 |
0.23 |
Functional ≤ 10μM |
Z81134-1-O |
L2987 (Lung Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z81160-1-O |
Lewis Lung Carcinoma Cell Line (cluster #1 Of 1), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81164-1-O |
LL Cell Line (cluster #1 Of 2), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81167-1-O |
LLTC Cell Line (cluster #1 Of 1), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81170-1-O |
LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other |
Other |
78 |
0.26 |
Functional ≤ 10μM
|
Z81184-1-O |
LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other |
Other |
42 |
0.26 |
Functional ≤ 10μM
|
Z81201-1-O |
HOP-62 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
4 |
0.30 |
Functional ≤ 10μM
|
Z81211-1-O |
LXFL529 Cell Line (cluster #1 Of 1), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81244-1-O |
J774 (Macrophage Cells) (cluster #1 Of 1), Other |
Other |
79 |
0.25 |
Functional ≤ 10μM |
Z81245-1-O |
MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
960 |
0.22 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
710 |
0.22 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
730 |
0.22 |
Functional ≤ 10μM
|
Z81252-3-O |
MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM
|
Z81252-3-O |
MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other |
Other |
840 |
0.22 |
Functional ≤ 10μM
|
Z81257-1-O |
MEL-AC Cell Line (cluster #1 Of 1), Other |
Other |
1200 |
0.21 |
Functional ≤ 10μM
|
Z81261-1-O |
UACC-375 (cluster #1 Of 1), Other |
Other |
112 |
0.25 |
Functional ≤ 10μM
|
Z81277-2-O |
NCI-N417 (cluster #2 Of 2), Other |
Other |
230 |
0.24 |
Functional ≤ 10μM
|
Z81280-1-O |
NCI-H226 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
8 |
0.29 |
Functional ≤ 10μM
|
Z81284-1-O |
NCI-H647 (cluster #1 Of 2), Other |
Other |
1 |
0.32 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
80 |
0.25 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
820 |
0.22 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
2320 |
0.20 |
Functional ≤ 10μM
|
Z81341-1-O |
Tumor Cell Lines (cluster #1 Of 1), Other |
Other |
74 |
0.26 |
Functional ≤ 10μM
|
Z100081-1-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 2), Other |
Other |
500 |
0.23 |
ADME/T ≤ 10μM
|
Z80002-1-O |
1A9 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
100 |
0.25 |
ADME/T ≤ 10μM
|
Z80005-1-O |
3T3 (Fibroblast Cells) (cluster #1 Of 2), Other |
Other |
3700 |
0.19 |
ADME/T ≤ 10μM
|
Z80035-1-O |
B16 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
100 |
0.25 |
ADME/T ≤ 10μM
|
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
600 |
0.22 |
ADME/T ≤ 10μM |
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 2), Other |
Other |
60 |
0.26 |
ADME/T ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
480 |
0.23 |
ADME/T ≤ 10μM
|
Z80178-2-O |
J774.A1 (Macrophage Cells) (cluster #2 Of 2), Other |
Other |
20 |
0.28 |
ADME/T ≤ 10μM |
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 3), Other |
Other |
60 |
0.26 |
ADME/T ≤ 10μM
|
Z80193-3-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other |
Other |
29 |
0.27 |
ADME/T ≤ 10μM
|
Z80211-1-O |
LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
33 |
0.27 |
ADME/T ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
70 |
0.26 |
ADME/T ≤ 10μM
|
Z80253-2-O |
MEF (Embryonic Fibroblast Cells) (cluster #2 Of 2), Other |
Other |
3400 |
0.20 |
ADME/T ≤ 10μM
|
Z80291-1-O |
MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other |
Other |
300 |
0.23 |
ADME/T ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
2000 |
0.20 |
ADME/T ≤ 10μM
|
Z80548-2-O |
THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
8 |
0.29 |
ADME/T ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 3), Other |
Other |
7400 |
0.18 |
ADME/T ≤ 10μM
|
Z80682-2-O |
A549 (Lung Carcinoma Cells) (cluster #2 Of 3), Other |
Other |
900 |
0.22 |
ADME/T ≤ 10μM
|
Z80704-1-O |
BJ (Foreskin Fibroblast Cells) (cluster #1 Of 2), Other |
Other |
2700 |
0.20 |
ADME/T ≤ 10μM
|
Z80936-4-O |
HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other |
Other |
64 |
0.26 |
ADME/T ≤ 10μM
|
Z81020-1-O |
HepG2 (Hepatoblastoma Cells) (cluster #1 Of 1), Other |
Other |
420 |
0.23 |
ADME/T ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
ADME/T ≤ 10μM
|
Z81034-2-O |
A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 2), Other |
Other |
7 |
0.29 |
ADME/T ≤ 10μM
|
Z81057-5-O |
HUVEC (Umbilical Vein Endothelial Cells) (cluster #5 Of 5), Other |
Other |
30 |
0.27 |
ADME/T ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 3), Other |
Other |
400 |
0.23 |
ADME/T ≤ 10μM
|
Z81331-2-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other |
Other |
178 |
0.24 |
ADME/T ≤ 10μM
|
Q7ZJM1-1-V |
Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral |
Viruses |
900 |
0.22 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.57 |
-0.88 |
-58.15 |
8 |
12 |
1 |
208 |
544.533 |
5 |
↓
|
|
|
Analogs
-
3830631
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AURKA-1-E |
Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
40 |
0.27 |
Binding ≤ 10μM |
MMP2-2-E |
72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
1100 |
0.21 |
Binding ≤ 10μM
|
TOP2A-1-E |
DNA Topoisomerase II Alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1000 |
0.22 |
Binding ≤ 10μM
|
TOP1-1-E |
DNA Topoisomerase I (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
TOP2A-1-E |
DNA Topoisomerase II Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
TOP2B-1-E |
DNA Topoisomerase II Beta (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
22 |
0.27 |
Functional ≤ 10μM
|
Z50643-2-O |
Hepatitis C Virus (cluster #2 Of 2), Other |
Other |
2600 |
0.20 |
Binding ≤ 10μM
|
Z103203-1-O |
A375 (cluster #1 Of 3), Other |
Other |
130 |
0.25 |
Functional ≤ 10μM
|
Z103205-1-O |
A431 (cluster #1 Of 4), Other |
Other |
370 |
0.23 |
Functional ≤ 10μM
|
Z103219-1-O |
Ca9-22 (cluster #1 Of 1), Other |
Other |
1300 |
0.21 |
Functional ≤ 10μM
|
Z50347-3-O |
Saccharomyces Cerevisiae (cluster #3 Of 3), Other |
Other |
10000 |
0.18 |
Functional ≤ 10μM
|
Z50587-4-O |
Homo Sapiens (cluster #4 Of 9), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z50643-2-O |
Hepatitis C Virus (cluster #2 Of 5), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z80008-1-O |
5637 (Epithelial Bladder Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80017-1-O |
A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
6 |
0.30 |
Functional ≤ 10μM
|
Z80018-2-O |
A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM |
Z80021-3-O |
A498 (Renal Carcinoma Cells) (cluster #3 Of 5), Other |
Other |
53 |
0.26 |
Functional ≤ 10μM
|
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
700 |
0.22 |
Functional ≤ 10μM |
Z80026-1-O |
AGS (Gastric Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
310 |
0.23 |
Functional ≤ 10μM
|
Z80035-1-O |
B16 (Melanoma Cells) (cluster #1 Of 7), Other |
Other |
8 |
0.29 |
Functional ≤ 10μM
|
Z80039-1-O |
BGC-823 (Stomach Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
1000 |
0.22 |
Functional ≤ 10μM
|
Z80052-1-O |
C8166 (Leukemic T-cells) (cluster #1 Of 3), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
6700 |
0.19 |
Functional ≤ 10μM |
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80068-1-O |
CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #1 Of 5), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80088-1-O |
CHO (Ovarian Cells) (cluster #1 Of 4), Other |
Other |
6000 |
0.19 |
Functional ≤ 10μM
|
Z80092-1-O |
CHO-K1 (Ovarian Cells) (cluster #1 Of 2), Other |
Other |
400 |
0.23 |
Functional ≤ 10μM
|
Z80105-2-O |
COR-L23 (Lung Carcinoma Cells) (cluster #2 Of 2), Other |
Other |
319 |
0.23 |
Functional ≤ 10μM
|
Z80114-1-O |
Daudi (Burkitts Lymphoma Cells) (cluster #1 Of 4), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
6240 |
0.19 |
Functional ≤ 10μM |
Z80126-2-O |
DuPro (cluster #2 Of 2), Other |
Other |
1800 |
0.21 |
Functional ≤ 10μM
|
Z80138-1-O |
G-361 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80145-3-O |
H69 (cluster #3 Of 4), Other |
Other |
870 |
0.22 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
920 |
0.22 |
Functional ≤ 10μM
|
Z80164-1-O |
HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other |
Other |
9320 |
0.18 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
92 |
0.25 |
Functional ≤ 10μM
|
Z80175-1-O |
IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80188-1-O |
KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
21 |
0.28 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
900 |
0.22 |
Functional ≤ 10μM |
Z80211-1-O |
LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
9700 |
0.18 |
Functional ≤ 10μM
|
Z80214-2-O |
M14 (Melanoma Cells) (cluster #2 Of 3), Other |
Other |
820 |
0.22 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
920 |
0.22 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
6700 |
0.19 |
Functional ≤ 10μM
|
Z80240-1-O |
MDA-MB-361 (cluster #1 Of 1), Other |
Other |
33 |
0.27 |
Functional ≤ 10μM
|
Z80243-1-O |
MDA-MB-453 (Breast Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
120 |
0.25 |
Functional ≤ 10μM
|
Z80244-4-O |
MDA-MB-468 (Breast Adenocarcinoma) (cluster #4 Of 7), Other |
Other |
7 |
0.29 |
Functional ≤ 10μM
|
Z80254-1-O |
MES-SA (Uterine Sarcoma Cells) (cluster #1 Of 2), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80255-2-O |
MES-SA/DxS (Uterine Sarcoma Cells) (cluster #2 Of 2), Other |
Other |
704 |
0.22 |
Functional ≤ 10μM
|
Z80267-1-O |
MKN-1 (cluster #1 Of 1), Other |
Other |
640 |
0.22 |
Functional ≤ 10μM
|
Z80269-1-O |
MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
3130 |
0.20 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80291-1-O |
MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z80295-6-O |
MT4 (Lymphocytes) (cluster #6 Of 8), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM |
Z80322-2-O |
NCI-H358 (Lung Carcinama Cells) (cluster #2 Of 2), Other |
Other |
620 |
0.22 |
Functional ≤ 10μM
|
Z80330-1-O |
NCI-N87 (cluster #1 Of 1), Other |
Other |
420 |
0.23 |
Functional ≤ 10μM
|
Z80354-4-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #4 Of 4), Other |
Other |
35 |
0.27 |
Functional ≤ 10μM
|
Z80362-1-O |
P388 (Lymphoma Cells) (cluster #1 Of 8), Other |
Other |
830 |
0.22 |
Functional ≤ 10μM |
Z80364-1-O |
P388/ADR (Lymphoma Cells) (cluster #1 Of 1), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80367-1-O |
P388/S (cluster #1 Of 1), Other |
Other |
13 |
0.28 |
Functional ≤ 10μM
|
Z80389-1-O |
PC-14 (cluster #1 Of 1), Other |
Other |
290 |
0.23 |
Functional ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other |
Other |
912 |
0.22 |
Functional ≤ 10μM
|
Z80414-1-O |
Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80433-1-O |
RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other |
Other |
560 |
0.22 |
Functional ≤ 10μM
|
Z80441-1-O |
RXF 944 (cluster #1 Of 1), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80466-1-O |
SF268 (cluster #1 Of 4), Other |
Other |
600 |
0.22 |
Functional ≤ 10μM |
Z80468-1-O |
SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
35 |
0.27 |
Functional ≤ 10μM
|
Z80472-1-O |
SiHa (Cervical Squamous Cell Carcinoma) (cluster #1 Of 2), Other |
Other |
500 |
0.23 |
Functional ≤ 10μM
|
Z80475-1-O |
SK-BR-3 (Breast Adenocarcinoma) (cluster #1 Of 3), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80477-1-O |
SK_HEP1 (Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
100 |
0.25 |
Functional ≤ 10μM
|
Z80479-1-O |
SK-MEL (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
1730 |
0.21 |
Functional ≤ 10μM
|
Z80481-1-O |
SK-MEL-1 (Metastatic Melanoma Cells) (cluster #1 Of 1), Other |
Other |
3092 |
0.20 |
Functional ≤ 10μM |
Z80482-3-O |
SK-MEL-2 (Melanoma Cells) (cluster #3 Of 4), Other |
Other |
97 |
0.25 |
Functional ≤ 10μM
|
Z80485-1-O |
SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other |
Other |
600 |
0.22 |
Functional ≤ 10μM |
Z80490-3-O |
SK-MES-1 (cluster #3 Of 4), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80491-2-O |
SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other |
Other |
120 |
0.25 |
Functional ≤ 10μM
|
Z80492-1-O |
SK-N-SH (Neuroblastoma Cells) (cluster #1 Of 2), Other |
Other |
1100 |
0.21 |
Functional ≤ 10μM
|
Z80493-1-O |
SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
800 |
0.22 |
Functional ≤ 10μM
|
Z80495-1-O |
SK-VLB (cluster #1 Of 1), Other |
Other |
6540 |
0.19 |
Functional ≤ 10μM
|
Z80503-1-O |
SNU1 (cluster #1 Of 2), Other |
Other |
4000 |
0.19 |
Functional ≤ 10μM
|
Z80509-1-O |
SNU-638 (Gastric Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
690 |
0.22 |
Functional ≤ 10μM
|
Z80526-1-O |
SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM |
Z80532-1-O |
T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
640 |
0.22 |
Functional ≤ 10μM
|
Z80559-1-O |
U251 (cluster #1 Of 3), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80560-1-O |
U-251 (Glioma Cells) (cluster #1 Of 3), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80563-1-O |
U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80565-1-O |
U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80574-2-O |
UMUC3 (cluster #2 Of 2), Other |
Other |
9 |
0.29 |
Functional ≤ 10μM
|
Z80581-1-O |
VA13 (cluster #1 Of 1), Other |
Other |
699 |
0.22 |
Functional ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 7), Other |
Other |
5000 |
0.19 |
Functional ≤ 10μM
|
Z80595-1-O |
WIL2-NS (Lymphoblastoid Cells) (cluster #1 Of 2), Other |
Other |
200 |
0.24 |
Functional ≤ 10μM |
Z80600-2-O |
XF498 (Glioma Cells) (cluster #2 Of 2), Other |
Other |
44 |
0.26 |
Functional ≤ 10μM
|
Z80608-1-O |
ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other |
Other |
9 |
0.29 |
Functional ≤ 10μM
|
Z80661-1-O |
A704 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
2000 |
0.20 |
Functional ≤ 10μM
|
Z80682-1-O |
A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other |
Other |
970 |
0.22 |
Functional ≤ 10μM
|
Z80697-1-O |
Bel-7402 (Hepatoma Cells) (cluster #1 Of 3), Other |
Other |
1000 |
0.22 |
Functional ≤ 10μM
|
Z80712-2-O |
T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other |
Other |
72 |
0.26 |
Functional ≤ 10μM
|
Z80726-1-O |
TRAMP-C1A (Prostate Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
76 |
0.26 |
Functional ≤ 10μM
|
Z80730-1-O |
C2D Cell Line (cluster #1 Of 1), Other |
Other |
47 |
0.26 |
Functional ≤ 10μM
|
Z80731-1-O |
C2G Cell Line (cluster #1 Of 1), Other |
Other |
29 |
0.27 |
Functional ≤ 10μM
|
Z80732-1-O |
TRAMP-C2H (Prostate Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80735-1-O |
C38 (Colon Carcinoma) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z80768-1-O |
CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
6 |
0.30 |
Functional ≤ 10μM
|
Z80784-1-O |
Col2 (Colon Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
520 |
0.23 |
Functional ≤ 10μM
|
Z80801-2-O |
CRL-7065 Cell Line (cluster #2 Of 2), Other |
Other |
500 |
0.23 |
Functional ≤ 10μM
|
Z80819-1-O |
J774.2 (cluster #1 Of 1), Other |
Other |
368 |
0.23 |
Functional ≤ 10μM |
Z80846-1-O |
F460pv8/eto Cell Line (cluster #1 Of 2), Other |
Other |
20 |
0.28 |
Functional ≤ 10μM
|
Z80852-1-O |
A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
50 |
0.26 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
60 |
0.26 |
Functional ≤ 10μM
|
Z80887-1-O |
H2981 Cell Line (cluster #1 Of 1), Other |
Other |
700 |
0.22 |
Functional ≤ 10μM
|
Z80889-1-O |
NCI-H322M (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z80896-1-O |
NCI-H69 (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
27 |
0.27 |
Functional ≤ 10μM
|
Z80928-1-O |
HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z80936-1-O |
HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other |
Other |
900 |
0.22 |
Functional ≤ 10μM |
Z80943-1-O |
HEL 299 (cluster #1 Of 1), Other |
Other |
1700 |
0.21 |
Functional ≤ 10μM |
Z80945-1-O |
HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other |
Other |
59 |
0.26 |
Functional ≤ 10μM
|
Z81005-1-O |
HTB-54 Cell Line (cluster #1 Of 1), Other |
Other |
1100 |
0.21 |
Functional ≤ 10μM
|
Z81006-1-O |
Human Breast 401NL Tumor Cell Line (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z81017-1-O |
WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
620 |
0.22 |
Functional ≤ 10μM
|
Z81020-3-O |
HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other |
Other |
954 |
0.22 |
Functional ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
660 |
0.22 |
Functional ≤ 10μM
|
Z81025-1-O |
Human Lung LXF 529L Tumor Cell Line (cluster #1 Of 1), Other |
Other |
30 |
0.27 |
Functional ≤ 10μM
|
Z81026-1-O |
Human Lung LXF 629L Tumor Cell Line (cluster #1 Of 1), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM
|
Z81028-1-O |
Human Melanoma Cell Line (cluster #1 Of 1), Other |
Other |
280 |
0.24 |
Functional ≤ 10μM
|
Z81034-2-O |
A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other |
Other |
10 |
0.29 |
Functional ≤ 10μM
|
Z81043-1-O |
N592 (cluster #1 Of 2), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81054-1-O |
SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81072-1-O |
Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other |
Other |
90 |
0.25 |
Functional ≤ 10μM
|
Z81101-1-O |
KBM-3 Cell Line (cluster #1 Of 1), Other |
Other |
26 |
0.27 |
Functional ≤ 10μM
|
Z81102-1-O |
KBM-3/DOX Cell Line (cluster #1 Of 1), Other |
Other |
490 |
0.23 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
7010 |
0.19 |
Functional ≤ 10μM
|
Z81133-1-O |
L1210 (1565) (cluster #1 Of 1), Other |
Other |
315 |
0.23 |
Functional ≤ 10μM |
Z81134-1-O |
L2987 (Lung Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
300 |
0.23 |
Functional ≤ 10μM
|
Z81160-1-O |
Lewis Lung Carcinoma Cell Line (cluster #1 Of 1), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81164-1-O |
LL Cell Line (cluster #1 Of 2), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81167-1-O |
LLTC Cell Line (cluster #1 Of 1), Other |
Other |
22 |
0.27 |
Functional ≤ 10μM
|
Z81170-1-O |
LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other |
Other |
78 |
0.26 |
Functional ≤ 10μM
|
Z81184-1-O |
LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other |
Other |
42 |
0.26 |
Functional ≤ 10μM
|
Z81201-1-O |
HOP-62 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
4 |
0.30 |
Functional ≤ 10μM
|
Z81211-1-O |
LXFL529 Cell Line (cluster #1 Of 1), Other |
Other |
40 |
0.27 |
Functional ≤ 10μM
|
Z81244-1-O |
J774 (Macrophage Cells) (cluster #1 Of 1), Other |
Other |
79 |
0.25 |
Functional ≤ 10μM |
Z81245-1-O |
MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
960 |
0.22 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
730 |
0.22 |
Functional ≤ 10μM
|
Z81252-3-O |
MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other |
Other |
70 |
0.26 |
Functional ≤ 10μM
|
Z81257-1-O |
MEL-AC Cell Line (cluster #1 Of 1), Other |
Other |
1200 |
0.21 |
Functional ≤ 10μM
|
Z81261-1-O |
UACC-375 (cluster #1 Of 1), Other |
Other |
112 |
0.25 |
Functional ≤ 10μM
|
Z81277-2-O |
NCI-N417 (cluster #2 Of 2), Other |
Other |
230 |
0.24 |
Functional ≤ 10μM
|
Z81280-1-O |
NCI-H226 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
8 |
0.29 |
Functional ≤ 10μM
|
Z81284-1-O |
NCI-H647 (cluster #1 Of 2), Other |
Other |
1 |
0.32 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
80 |
0.25 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
820 |
0.22 |
Functional ≤ 10μM
|
Z81341-1-O |
Tumor Cell Lines (cluster #1 Of 1), Other |
Other |
74 |
0.26 |
Functional ≤ 10μM
|
Z100081-1-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 2), Other |
Other |
500 |
0.23 |
ADME/T ≤ 10μM
|
Z80002-1-O |
1A9 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
100 |
0.25 |
ADME/T ≤ 10μM
|
Z80005-1-O |
3T3 (Fibroblast Cells) (cluster #1 Of 2), Other |
Other |
3700 |
0.19 |
ADME/T ≤ 10μM
|
Z80035-1-O |
B16 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
100 |
0.25 |
ADME/T ≤ 10μM
|
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
600 |
0.22 |
ADME/T ≤ 10μM |
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 2), Other |
Other |
60 |
0.26 |
ADME/T ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
480 |
0.23 |
ADME/T ≤ 10μM
|
Z80178-2-O |
J774.A1 (Macrophage Cells) (cluster #2 Of 2), Other |
Other |
20 |
0.28 |
ADME/T ≤ 10μM |
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 3), Other |
Other |
60 |
0.26 |
ADME/T ≤ 10μM
|
Z80193-3-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 4), Other |
Other |
29 |
0.27 |
ADME/T ≤ 10μM
|
Z80211-1-O |
LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
33 |
0.27 |
ADME/T ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
70 |
0.26 |
ADME/T ≤ 10μM
|
Z80253-2-O |
MEF (Embryonic Fibroblast Cells) (cluster #2 Of 2), Other |
Other |
3400 |
0.20 |
ADME/T ≤ 10μM
|
Z80291-1-O |
MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other |
Other |
300 |
0.23 |
ADME/T ≤ 10μM
|
Z80390-1-O |
PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
2000 |
0.20 |
ADME/T ≤ 10μM
|
Z80548-2-O |
THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
8 |
0.29 |
ADME/T ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 3), Other |
Other |
7400 |
0.18 |
ADME/T ≤ 10μM
|
Z80682-2-O |
A549 (Lung Carcinoma Cells) (cluster #2 Of 3), Other |
Other |
900 |
0.22 |
ADME/T ≤ 10μM
|
Z80704-1-O |
BJ (Foreskin Fibroblast Cells) (cluster #1 Of 2), Other |
Other |
2700 |
0.20 |
ADME/T ≤ 10μM
|
Z80936-4-O |
HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other |
Other |
64 |
0.26 |
ADME/T ≤ 10μM
|
Z81020-1-O |
HepG2 (Hepatoblastoma Cells) (cluster #1 Of 1), Other |
Other |
420 |
0.23 |
ADME/T ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 1), Other |
Other |
10 |
0.29 |
ADME/T ≤ 10μM
|
Z81034-2-O |
A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 2), Other |
Other |
7 |
0.29 |
ADME/T ≤ 10μM
|
Z81057-5-O |
HUVEC (Umbilical Vein Endothelial Cells) (cluster #5 Of 5), Other |
Other |
30 |
0.27 |
ADME/T ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 3), Other |
Other |
400 |
0.23 |
ADME/T ≤ 10μM
|
Z81331-2-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other |
Other |
178 |
0.24 |
ADME/T ≤ 10μM
|
Q7ZJM1-1-V |
Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral |
Viruses |
900 |
0.22 |
Binding ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.57 |
-0.9 |
-63.19 |
8 |
12 |
1 |
208 |
544.533 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DYR-1-E |
Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
52 |
0.24 |
Binding ≤ 10μM
|
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
2 |
0.29 |
Functional ≤ 10μM
|
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
650 |
0.21 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
10 |
0.27 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z80192-1-O |
KM12 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
4 |
0.28 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
5 |
0.28 |
Functional ≤ 10μM
|
Z80354-1-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
46 |
0.24 |
Functional ≤ 10μM
|
Z80356-1-O |
OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z80357-1-O |
OVCAR-8 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
2 |
0.29 |
Functional ≤ 10μM
|
Z80438-1-O |
RXF 393 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
9 |
0.27 |
Functional ≤ 10μM
|
Z80457-1-O |
SCC-25 (cluster #1 Of 1), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80459-1-O |
SCC-7 (cluster #1 Of 1), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80468-1-O |
SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80485-1-O |
SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other |
Other |
5 |
0.28 |
Functional ≤ 10μM
|
Z80488-2-O |
SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other |
Other |
6 |
0.27 |
Functional ≤ 10μM
|
Z80551-1-O |
TK-10 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
10 |
0.27 |
Functional ≤ 10μM
|
Z80560-1-O |
U-251 (Glioma Cells) (cluster #1 Of 3), Other |
Other |
5 |
0.28 |
Functional ≤ 10μM
|
Z80568-1-O |
UACC-257 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
25 |
0.25 |
Functional ≤ 10μM
|
Z80570-3-O |
UACC-62 (Melanoma Cells) (cluster #3 Of 3), Other |
Other |
2 |
0.29 |
Functional ≤ 10μM
|
Z80575-1-O |
UO-31 (Renal Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
6 |
0.27 |
Functional ≤ 10μM
|
Z80640-1-O |
786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80682-1-O |
A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80711-1-O |
NCI/ADR-RES (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z80834-1-O |
EKVX (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
23 |
0.25 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
440 |
0.21 |
Functional ≤ 10μM
|
Z80920-1-O |
HCC 2998 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z80928-3-O |
HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z80972-1-O |
HOP-92 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
8 |
0.27 |
Functional ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Z81054-1-O |
SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
5 |
0.28 |
Functional ≤ 10μM |
Z81184-1-O |
LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z81245-1-O |
MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
3 |
0.28 |
Functional ≤ 10μM
|
Z81248-1-O |
Malme-3M (Melanoma Cells) (cluster #1 Of 3), Other |
Other |
2 |
0.29 |
Functional ≤ 10μM
|
Z81281-1-O |
NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other |
Other |
4 |
0.28 |
Functional ≤ 10μM
|
Z81283-1-O |
NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
7 |
0.27 |
Functional ≤ 10μM
|
Z81322-1-O |
SF-539 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
4 |
0.28 |
Functional ≤ 10μM
|
Z81325-1-O |
SR (Leukemia Cells) (cluster #1 Of 2), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
2 |
0.29 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
1 |
0.30 |
Functional ≤ 10μM
|
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-1.11 |
-10.62 |
-142.86 |
7 |
15 |
-2 |
254 |
571.554 |
12 |
↓
|
|
|
Analogs
-
3830631
-
Draw
Identity
99%
90%
80%
70%
Vendors
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.57 |
-10.91 |
-59.8 |
8 |
12 |
1 |
207 |
544.533 |
5 |
↓
|
|
|
Analogs
-
3830631
-
Draw
Identity
99%
90%
80%
70%
Vendors
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
0.57 |
-11.06 |
-58.55 |
8 |
12 |
1 |
207 |
544.533 |
5 |
↓
|
|
|
Analogs
-
6920406
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 72 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
B0BL08-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
DYR-1-B |
Dihydrofolate Reductase (cluster #1 Of 4), Bacterial |
Bacteria |
7 |
0.35 |
Binding ≤ 10μM
|
DYR-1-B |
Dihydrofolate Reductase (cluster #1 Of 4), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
DYR1-1-B |
Dihydrofolate Reductase Type 1 (cluster #1 Of 1), Bacterial |
Bacteria |
7 |
0.35 |
Binding ≤ 10μM
|
DYR1-1-B |
Dihydrofolate Reductase Type 1 (cluster #1 Of 1), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
Q81R22-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
15 |
0.33 |
Binding ≤ 10μM
|
TYSY-1-B |
Thymidylate Synthase (cluster #1 Of 1), Bacterial |
Bacteria |
1800 |
0.24 |
Binding ≤ 10μM
|
DYR-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
26 |
0.32 |
Functional ≤ 10μM
|
DRTS-1-E |
Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
11 |
0.34 |
Binding ≤ 10μM
|
DRTS-1-E |
Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
33 |
0.32 |
Binding ≤ 10μM
|
DYR-1-E |
Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
3 |
0.36 |
Binding ≤ 10μM |
DYR-1-E |
Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
5 |
0.35 |
Binding ≤ 10μM
|
FOLC-1-E |
Folylpoly-gamma-glutamate Synthetase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3200 |
0.23 |
Binding ≤ 10μM
|
PTR1-1-E |
Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
39 |
0.31 |
Binding ≤ 10μM
|
S19A1-1-E |
Folate Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3500 |
0.23 |
Binding ≤ 10μM
|
TYSY-1-E |
Thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
3600 |
0.23 |
Binding ≤ 10μM
|
DYR-1-F |
Dihydrofolate Reductase (cluster #1 Of 1), Fungal |
Fungi |
880 |
0.26 |
Binding ≤ 10μM
|
Z103204-2-O |
A427 (cluster #2 Of 4), Other |
Other |
5520 |
0.22 |
Functional ≤ 10μM
|
Z50266-1-O |
Enterococcus Faecium (cluster #1 Of 1), Other |
Other |
90 |
0.30 |
Functional ≤ 10μM
|
Z50362-1-O |
Lactobacillus Casei (cluster #1 Of 1), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
85 |
0.30 |
Functional ≤ 10μM
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 9), Other |
Other |
6600 |
0.22 |
Functional ≤ 10μM
|
Z50594-1-O |
Mus Musculus (cluster #1 Of 9), Other |
Other |
4200 |
0.23 |
Functional ≤ 10μM
|
Z80001-1-O |
143B (cluster #1 Of 2), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80008-1-O |
5637 (Epithelial Bladder Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
16 |
0.33 |
Functional ≤ 10μM
|
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
40 |
0.31 |
Functional ≤ 10μM
|
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
1100 |
0.25 |
Functional ≤ 10μM
|
Z80063-1-O |
CCRF S-180 (cluster #1 Of 1), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
620 |
0.26 |
Functional ≤ 10μM
|
Z80099-1-O |
COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
870 |
0.26 |
Functional ≤ 10μM
|
Z80112-1-O |
DAN-G (cluster #1 Of 2), Other |
Other |
77 |
0.30 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
45 |
0.31 |
Functional ≤ 10μM
|
Z80132-1-O |
EL4 (Thymoma Cells) (cluster #1 Of 2), Other |
Other |
1570 |
0.25 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
7 |
0.35 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80166-12-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #12 Of 12), Other |
Other |
4400 |
0.23 |
Functional ≤ 10μM |
Z80171-1-O |
HuTu80 (cluster #1 Of 1), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
26 |
0.32 |
Functional ≤ 10μM
|
Z80192-1-O |
KM12 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
42 |
0.31 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80214-1-O |
M14 (Melanoma Cells) (cluster #1 Of 3), Other |
Other |
32 |
0.32 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
900 |
0.26 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
78 |
0.30 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
28 |
0.32 |
Functional ≤ 10μM
|
Z80354-1-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
400 |
0.27 |
Functional ≤ 10μM
|
Z80356-1-O |
OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
980 |
0.25 |
Functional ≤ 10μM
|
Z80357-1-O |
OVCAR-8 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
31 |
0.32 |
Functional ≤ 10μM
|
Z80362-8-O |
P388 (Lymphoma Cells) (cluster #8 Of 8), Other |
Other |
66 |
0.30 |
Functional ≤ 10μM |
Z80390-3-O |
PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other |
Other |
27 |
0.32 |
Functional ≤ 10μM
|
Z80407-1-O |
R1 (cluster #1 Of 1), Other |
Other |
720 |
0.26 |
Functional ≤ 10μM
|
Z80408-1-O |
R1-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
985 |
0.25 |
Functional ≤ 10μM
|
Z80409-1-O |
R2 (cluster #1 Of 1), Other |
Other |
216 |
0.28 |
Functional ≤ 10μM
|
Z80409-1-O |
R2 (cluster #1 Of 1), Other |
Other |
2600 |
0.24 |
Functional ≤ 10μM
|
Z80410-1-O |
R2-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
2630 |
0.24 |
Functional ≤ 10μM
|
Z80411-1-O |
R30dm-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
18 |
0.33 |
Functional ≤ 10μM
|
Z80414-1-O |
Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other |
Other |
40 |
0.31 |
Functional ≤ 10μM
|
Z80433-1-O |
RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z80443-1-O |
S180 (Sarcoma Cells) (cluster #1 Of 1), Other |
Other |
5 |
0.35 |
Functional ≤ 10μM
|
Z80455-1-O |
SCC-15 (cluster #1 Of 1), Other |
Other |
580 |
0.26 |
Functional ≤ 10μM
|
Z80457-1-O |
SCC-25 (cluster #1 Of 1), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80459-1-O |
SCC-7 (cluster #1 Of 1), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM
|
Z80468-1-O |
SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
36 |
0.32 |
Functional ≤ 10μM
|
Z80488-2-O |
SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other |
Other |
87 |
0.30 |
Functional ≤ 10μM
|
Z80526-1-O |
SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
15 |
0.33 |
Functional ≤ 10μM
|
Z80560-1-O |
U-251 (Glioma Cells) (cluster #1 Of 3), Other |
Other |
63 |
0.31 |
Functional ≤ 10μM
|
Z80563-1-O |
U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other |
Other |
12 |
0.34 |
Functional ≤ 10μM
|
Z80565-1-O |
U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
22 |
0.32 |
Functional ≤ 10μM
|
Z80568-1-O |
UACC-257 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
790 |
0.26 |
Functional ≤ 10μM
|
Z80570-3-O |
UACC-62 (Melanoma Cells) (cluster #3 Of 3), Other |
Other |
28 |
0.32 |
Functional ≤ 10μM
|
Z80575-1-O |
UO-31 (Renal Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
191 |
0.29 |
Functional ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 7), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80640-1-O |
786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z80657-1-O |
A253 Cell Line (cluster #1 Of 1), Other |
Other |
3000 |
0.23 |
Functional ≤ 10μM
|
Z80682-11-O |
A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other |
Other |
5 |
0.35 |
Functional ≤ 10μM |
Z80682-11-O |
A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other |
Other |
37 |
0.32 |
Functional ≤ 10μM |
Z80711-1-O |
NCI/ADR-RES (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
78 |
0.30 |
Functional ≤ 10μM
|
Z80752-1-O |
Carcinoma Cell Line (cluster #1 Of 1), Other |
Other |
15 |
0.33 |
Functional ≤ 10μM
|
Z80789-1-O |
Colon 38 (cluster #1 Of 1), Other |
Other |
66 |
0.30 |
Functional ≤ 10μM
|
Z80815-1-O |
D54 Cell Line (cluster #1 Of 1), Other |
Other |
16 |
0.33 |
Functional ≤ 10μM
|
Z80830-1-O |
Ehrlich (Ehrlich Ascites Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
13 |
0.33 |
Functional ≤ 10μM
|
Z80847-1-O |
FaDu (Pharyngeal Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
31 |
0.32 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
9740 |
0.21 |
Functional ≤ 10μM
|
Z80890-1-O |
H350.3 (MTX-resistant Reuber Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
906 |
0.26 |
Functional ≤ 10μM
|
Z80893-1-O |
H35 (Reuber Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80920-1-O |
HCC 2998 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
110 |
0.30 |
Functional ≤ 10μM
|
Z80928-3-O |
HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other |
Other |
30 |
0.32 |
Functional ≤ 10μM
|
Z81017-1-O |
WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
25 |
0.32 |
Functional ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z81054-1-O |
SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other |
Other |
52 |
0.31 |
Functional ≤ 10μM
|
Z81065-1-O |
IGROV-1 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
65 |
0.30 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM |
Z81184-1-O |
LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other |
Other |
26 |
0.32 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
100 |
0.30 |
Functional ≤ 10μM
|
Z81281-1-O |
NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other |
Other |
43 |
0.31 |
Functional ≤ 10μM
|
Z81283-1-O |
NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
450 |
0.27 |
Functional ≤ 10μM
|
Z81322-1-O |
SF-539 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
35 |
0.32 |
Functional ≤ 10μM
|
Z81325-1-O |
SR (Leukemia Cells) (cluster #1 Of 2), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
30 |
0.32 |
Functional ≤ 10μM
|
Z80253-1-O |
MEF (Embryonic Fibroblast Cells) (cluster #1 Of 2), Other |
Other |
120 |
0.29 |
ADME/T ≤ 10μM
|
Z80409-1-O |
R2 (cluster #1 Of 1), Other |
Other |
216 |
0.28 |
ADME/T ≤ 10μM |
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-1.97 |
6.06 |
-125.84 |
5 |
13 |
-2 |
216 |
452.431 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
-1.97 |
6.52 |
-124.82 |
6 |
13 |
-1 |
217 |
453.439 |
9 |
↓
|
|
|
Analogs
-
1529323
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 18 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
B0BL08-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
DYR-1-B |
Dihydrofolate Reductase (cluster #1 Of 4), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
DYR1-1-B |
Dihydrofolate Reductase Type 1 (cluster #1 Of 1), Bacterial |
Bacteria |
9 |
0.34 |
Binding ≤ 10μM
|
Q81R22-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
15 |
0.33 |
Binding ≤ 10μM
|
TYSY-1-B |
Thymidylate Synthase (cluster #1 Of 1), Bacterial |
Bacteria |
1800 |
0.24 |
Binding ≤ 10μM
|
DYR-1-B |
Dihydrofolate Reductase (cluster #1 Of 1), Bacterial |
Bacteria |
26 |
0.32 |
Functional ≤ 10μM
|
DRTS-1-E |
Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
33 |
0.32 |
Binding ≤ 10μM
|
DYR-1-E |
Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
5 |
0.35 |
Binding ≤ 10μM
|
FOLC-1-E |
Folylpoly-gamma-glutamate Synthetase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3200 |
0.23 |
Binding ≤ 10μM
|
PTR1-1-E |
Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
39 |
0.31 |
Binding ≤ 10μM
|
S19A1-1-E |
Folate Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3500 |
0.23 |
Binding ≤ 10μM
|
TYSY-1-E |
Thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
3600 |
0.23 |
Binding ≤ 10μM
|
DYR-1-F |
Dihydrofolate Reductase (cluster #1 Of 1), Fungal |
Fungi |
880 |
0.26 |
Binding ≤ 10μM
|
Z103204-2-O |
A427 (cluster #2 Of 4), Other |
Other |
5520 |
0.22 |
Functional ≤ 10μM
|
Z50266-1-O |
Enterococcus Faecium (cluster #1 Of 1), Other |
Other |
90 |
0.30 |
Functional ≤ 10μM
|
Z50362-1-O |
Lactobacillus Casei (cluster #1 Of 1), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
85 |
0.30 |
Functional ≤ 10μM
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 9), Other |
Other |
6600 |
0.22 |
Functional ≤ 10μM
|
Z50594-1-O |
Mus Musculus (cluster #1 Of 9), Other |
Other |
4200 |
0.23 |
Functional ≤ 10μM
|
Z80001-1-O |
143B (cluster #1 Of 2), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80008-1-O |
5637 (Epithelial Bladder Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
16 |
0.33 |
Functional ≤ 10μM
|
Z80025-1-O |
ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
40 |
0.31 |
Functional ≤ 10μM
|
Z80054-1-O |
Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
1100 |
0.25 |
Functional ≤ 10μM
|
Z80063-1-O |
CCRF S-180 (cluster #1 Of 1), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80064-1-O |
CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80099-1-O |
COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
870 |
0.26 |
Functional ≤ 10μM
|
Z80112-1-O |
DAN-G (cluster #1 Of 2), Other |
Other |
77 |
0.30 |
Functional ≤ 10μM
|
Z80125-1-O |
DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other |
Other |
45 |
0.31 |
Functional ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80166-12-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #12 Of 12), Other |
Other |
4400 |
0.23 |
Functional ≤ 10μM |
Z80171-1-O |
HuTu80 (cluster #1 Of 1), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
26 |
0.32 |
Functional ≤ 10μM
|
Z80192-1-O |
KM12 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
42 |
0.31 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80214-1-O |
M14 (Melanoma Cells) (cluster #1 Of 3), Other |
Other |
32 |
0.32 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
900 |
0.26 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
78 |
0.30 |
Functional ≤ 10μM
|
Z80285-2-O |
MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other |
Other |
28 |
0.32 |
Functional ≤ 10μM
|
Z80354-1-O |
OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other |
Other |
400 |
0.27 |
Functional ≤ 10μM
|
Z80356-1-O |
OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
980 |
0.25 |
Functional ≤ 10μM
|
Z80357-1-O |
OVCAR-8 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 1), Other |
Other |
31 |
0.32 |
Functional ≤ 10μM
|
Z80362-8-O |
P388 (Lymphoma Cells) (cluster #8 Of 8), Other |
Other |
66 |
0.30 |
Functional ≤ 10μM |
Z80390-3-O |
PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other |
Other |
27 |
0.32 |
Functional ≤ 10μM
|
Z80407-1-O |
R1 (cluster #1 Of 1), Other |
Other |
720 |
0.26 |
Functional ≤ 10μM
|
Z80408-1-O |
R1-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
985 |
0.25 |
Functional ≤ 10μM
|
Z80409-1-O |
R2 (cluster #1 Of 1), Other |
Other |
2600 |
0.24 |
Functional ≤ 10μM
|
Z80410-1-O |
R2-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
2630 |
0.24 |
Functional ≤ 10μM
|
Z80411-1-O |
R30dm-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other |
Other |
18 |
0.33 |
Functional ≤ 10μM
|
Z80433-1-O |
RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z80443-1-O |
S180 (Sarcoma Cells) (cluster #1 Of 1), Other |
Other |
5 |
0.35 |
Functional ≤ 10μM
|
Z80455-1-O |
SCC-15 (cluster #1 Of 1), Other |
Other |
580 |
0.26 |
Functional ≤ 10μM
|
Z80457-1-O |
SCC-25 (cluster #1 Of 1), Other |
Other |
8 |
0.34 |
Functional ≤ 10μM
|
Z80459-1-O |
SCC-7 (cluster #1 Of 1), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM
|
Z80468-1-O |
SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
36 |
0.32 |
Functional ≤ 10μM
|
Z80488-2-O |
SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other |
Other |
87 |
0.30 |
Functional ≤ 10μM
|
Z80526-1-O |
SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
15 |
0.33 |
Functional ≤ 10μM
|
Z80560-1-O |
U-251 (Glioma Cells) (cluster #1 Of 3), Other |
Other |
63 |
0.31 |
Functional ≤ 10μM
|
Z80563-1-O |
U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other |
Other |
12 |
0.34 |
Functional ≤ 10μM
|
Z80565-1-O |
U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
22 |
0.32 |
Functional ≤ 10μM
|
Z80568-1-O |
UACC-257 (Melanoma Cells) (cluster #1 Of 1), Other |
Other |
790 |
0.26 |
Functional ≤ 10μM
|
Z80570-3-O |
UACC-62 (Melanoma Cells) (cluster #3 Of 3), Other |
Other |
28 |
0.32 |
Functional ≤ 10μM
|
Z80575-1-O |
UO-31 (Renal Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
191 |
0.29 |
Functional ≤ 10μM
|
Z80583-1-O |
Vero (Kidney Cells) (cluster #1 Of 7), Other |
Other |
9 |
0.34 |
Functional ≤ 10μM
|
Z80640-1-O |
786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z80657-1-O |
A253 Cell Line (cluster #1 Of 1), Other |
Other |
3000 |
0.23 |
Functional ≤ 10μM
|
Z80682-11-O |
A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other |
Other |
5 |
0.35 |
Functional ≤ 10μM |
Z80711-1-O |
NCI/ADR-RES (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
78 |
0.30 |
Functional ≤ 10μM
|
Z80752-1-O |
Carcinoma Cell Line (cluster #1 Of 1), Other |
Other |
15 |
0.33 |
Functional ≤ 10μM
|
Z80789-1-O |
Colon 38 (cluster #1 Of 1), Other |
Other |
66 |
0.30 |
Functional ≤ 10μM
|
Z80815-1-O |
D54 Cell Line (cluster #1 Of 1), Other |
Other |
16 |
0.33 |
Functional ≤ 10μM
|
Z80830-1-O |
Ehrlich (Ehrlich Ascites Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
13 |
0.33 |
Functional ≤ 10μM
|
Z80847-1-O |
FaDu (Pharyngeal Carcinoma Cells) (cluster #1 Of 3), Other |
Other |
31 |
0.32 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
9740 |
0.21 |
Functional ≤ 10μM
|
Z80890-1-O |
H350.3 (MTX-resistant Reuber Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
906 |
0.26 |
Functional ≤ 10μM
|
Z80893-1-O |
H35 (Reuber Hepatoma Cells) (cluster #1 Of 1), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z80920-1-O |
HCC 2998 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other |
Other |
110 |
0.30 |
Functional ≤ 10μM
|
Z80928-3-O |
HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other |
Other |
30 |
0.32 |
Functional ≤ 10μM
|
Z81017-1-O |
WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
25 |
0.32 |
Functional ≤ 10μM
|
Z81024-1-O |
NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other |
Other |
10 |
0.34 |
Functional ≤ 10μM
|
Z81054-1-O |
SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other |
Other |
52 |
0.31 |
Functional ≤ 10μM
|
Z81065-1-O |
IGROV-1 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 3), Other |
Other |
65 |
0.30 |
Functional ≤ 10μM
|
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
6 |
0.35 |
Functional ≤ 10μM |
Z81184-1-O |
LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other |
Other |
26 |
0.32 |
Functional ≤ 10μM
|
Z81247-1-O |
HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other |
Other |
100 |
0.30 |
Functional ≤ 10μM
|
Z81281-1-O |
NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other |
Other |
43 |
0.31 |
Functional ≤ 10μM
|
Z81283-1-O |
NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
450 |
0.27 |
Functional ≤ 10μM
|
Z81322-1-O |
SF-539 (Glioblastoma Cells) (cluster #1 Of 2), Other |
Other |
35 |
0.32 |
Functional ≤ 10μM
|
Z81325-1-O |
SR (Leukemia Cells) (cluster #1 Of 2), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
33 |
0.32 |
Functional ≤ 10μM
|
Z81335-1-O |
HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other |
Other |
30 |
0.32 |
Functional ≤ 10μM
|
Z80409-1-O |
R2 (cluster #1 Of 1), Other |
Other |
216 |
0.28 |
ADME/T ≤ 10μM |
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
-1.97 |
6.03 |
-126.53 |
5 |
13 |
-2 |
216 |
452.431 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
-1.97 |
6.57 |
-124.3 |
6 |
13 |
-1 |
217 |
453.439 |
9 |
↓
|
|
|
Analogs
-
1530690
-
-
1849472
-
-
8602413
-
-
13319948
-
-
44699472
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EBP-1-E |
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5 |
0.42 |
Binding ≤ 10μM
|
ESR1-1-E |
Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
8 |
0.40 |
Binding ≤ 10μM
|
ESR2-1-E |
Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
3900 |
0.27 |
Binding ≤ 10μM
|
KCNH2-2-E |
HERG (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
1585 |
0.29 |
Binding ≤ 10μM
|
MDR1-1-E |
P-glycoprotein 1 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
100 |
0.35 |
Binding ≤ 10μM
|
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6800 |
0.26 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6800 |
0.26 |
Binding ≤ 10μM
|
PDE1B-1-E |
Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6750 |
0.26 |
Binding ≤ 10μM
|
PDE1C-1-E |
Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6800 |
0.26 |
Binding ≤ 10μM
|
Q8AWE3-1-E |
Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3400 |
0.27 |
Binding ≤ 10μM
|
SGMR1-1-E |
Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
35 |
0.37 |
Binding ≤ 10μM
|
ESR1-1-E |
Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
904 |
0.30 |
Functional ≤ 10μM
|
ESR2-1-E |
Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
904 |
0.30 |
Functional ≤ 10μM
|
CP2B6-2-E |
Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
900 |
0.30 |
ADME/T ≤ 10μM
|
CP3A4-2-E |
Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
200 |
0.33 |
ADME/T ≤ 10μM
|
ERG2-2-F |
C-8 Sterol Isomerase (cluster #2 Of 2), Fungal |
Fungi |
1500 |
0.29 |
Binding ≤ 10μM
|
Z100267-1-O |
Anti-estrogen Binding Site (AEBS) (cluster #1 Of 1), Other |
Other |
12 |
0.40 |
Binding ≤ 10μM
|
Z50425-11-O |
Plasmodium Falciparum (cluster #11 Of 22), Other |
Other |
7943 |
0.26 |
Functional ≤ 10μM
|
Z80132-2-O |
EL4 (Thymoma Cells) (cluster #2 Of 2), Other |
Other |
535 |
0.31 |
Functional ≤ 10μM
|
Z80224-1-O |
MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other |
Other |
904 |
0.30 |
Functional ≤ 10μM
|
Z80227-1-O |
MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other |
Other |
2000 |
0.28 |
Functional ≤ 10μM
|
Z80231-2-O |
MCF7S (Breast Carcinoma Cells) (cluster #2 Of 2), Other |
Other |
7200 |
0.26 |
Functional ≤ 10μM
|
Z80296-1-O |
MVLN (cluster #1 Of 1), Other |
Other |
300 |
0.33 |
Functional ≤ 10μM
|
Z80712-2-O |
T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other |
Other |
1000 |
0.30 |
Functional ≤ 10μM
|
Z81068-1-O |
Ishikawa (Uterine Carcinoma Cells) (cluster #1 Of 1), Other |
Other |
420 |
0.32 |
Functional ≤ 10μM
|
Z81245-1-O |
MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other |
Other |
50 |
0.37 |
Functional ≤ 10μM
|
Z81252-1-O |
MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #1 Of 11), Other |
Other |
9860 |
0.25 |
Functional ≤ 10μM
|
Z80936-1-O |
HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other |
Other |
10000 |
0.25 |
ADME/T ≤ 10μM |
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
6.06 |
15.81 |
-35.9 |
1 |
2 |
1 |
14 |
372.532 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
6.06 |
13.36 |
-4.97 |
0 |
2 |
0 |
12 |
371.524 |
8 |
↓
|
|